#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:51 +0300 (Thu, 24 May 2018) $
#$Revision: 895 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000373.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Raman Open Database (ROD),
# http://solsa.crystallography.net/rod/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1000373
loop_
_publ_author_name
'Belovitskaya, Yu.V.'
'Pekov, I.V.'
'Gobechiya, E.R.'
'Chukanov, N.V.'
'Kabalov, Yu.K.'
'Yamnova, N.A.'
'Schneider, J.'
_publ_section_title
;
 Crystal structures of two ancylite modifications
;
_journal_name_full               Kristallografiya
_journal_page_first              259
_journal_page_last               264
_journal_volume                  47
_journal_year                    2002
_chemical_compound_source        R060218
_chemical_formula_sum
'C2 H2.64 Ba0.01 Ca0.02 Ce0.98 F0.14 O7.74 Sr0.98'
_chemical_name_systematic
;
(Sr0.48 Ce0.48 Ca0.02 Ba0.01) (Sr0.5 Ce0.5) (C O3)2 ((O H)0.84 F0.14) (H2 O)0.9
;
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0634
_cell_length_b                   8.5898
_cell_length_c                   7.2781
_cell_volume                     316.551
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Belovitskaya_KRISAJ_2002_720.cif
_cod_data_source_block           C2H2.64Ba0.01Ca0.02Ce0.98F0.14O7.74Sr0.98
_cod_original_cell_volume        316.5507
_cod_database_code               1531127
_raman_determination_method      experimental
_raman_measurement_device.location 'Arizona University'
_raman_measurement_device.company 'Thermo Scientific'
_raman_measurement_device.model  'Nicolet Almega XR'
_raman_measurement_device.optics_type microscope
_raman_measurement_device.microscope_system dispersive
_raman_measurement_device.microscope_objective_magnification 50
_raman_measurement_device.microscope_numerical_aperture 0.5
_raman_measurement_device.excitation_laser_type helium-neon
_raman_measurement_device.excitation_laser_wavelength 780
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 12
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1
_raman_measurement_device.diffraction_grating 400
_raman_measurement.environment   Air
_raman_measurement.environment_details
;
 The sample was measured in air.
;
_raman_measurement.temperature   300
_raman_measurement.pressure      100
_raman_measurement.background_subtraction no
_raman_measurement.background_subtraction_details
;
 No background subtraction method was applied.
;
_raman_measurement.baseline_correction no
_raman_measurement.baseline_correction_details
;
 No baseline correction method was applied.
;
_raman_measurement.integration_time 10
_rod_data_source.file            R060218.rod
_rod_data_source.block           3500000
_rod_database.code               1000373
loop_
_raman_complementary.id
_raman_complementary.method
1 XRD
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 neon_lamp
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 1531127 COD http://www.crystallography.net/cod/1531127.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
91.82715 0.0000000E+00
92.30927 1.924155
92.79138 4.2383999E-02
93.27350 0.3300730
93.75562 1.035714
94.23773 1.168339
94.71985 1.229756
95.20197 1.071428
95.68408 0.6590040
96.16620 0.1858880
96.64832 7.8488998E-02
97.13043 0.4809370
97.61255 1.219504
98.09467 1.827207
98.57678 1.772624
99.05890 2.192259
99.54102 4.786137
100.0231 8.528003
100.5052 12.37269
100.9874 15.79563
101.4695 18.90791
101.9516 22.37123
102.4337 26.35626
102.9158 30.68051
103.3979 35.64494
103.8801 40.83555
104.3622 45.56032
104.8443 49.34042
105.3264 52.15015
105.8085 54.17734
106.2906 55.32542
106.7728 55.86435
107.2549 55.80169
107.7370 55.10599
108.2191 53.84353
108.7012 52.01788
109.1833 49.49949
109.6655 47.69045
110.1476 47.42318
110.6297 47.42482
111.1118 46.47962
111.5939 44.29449
112.0760 42.53553
112.5582 41.98978
113.0403 43.00979
113.5224 44.99877
114.0045 47.54997
114.4866 50.34844
114.9688 51.99910
115.4509 51.19267
115.9330 49.93573
116.4151 49.15110
116.8972 49.33939
117.3793 50.12337
117.8615 50.23282
118.3436 49.55831
118.8257 48.90449
119.3078 48.78918
119.7899 48.75502
120.2720 47.81753
120.7542 45.78136
121.2363 42.77693
121.7184 39.95338
122.2005 37.96934
122.6826 36.37779
123.1647 35.60809
123.6468 35.13783
124.1290 34.20280
124.6111 32.33177
125.0932 29.64895
125.5753 27.22598
126.0574 25.55407
126.5395 23.60332
127.0217 20.48857
127.5038 16.49128
127.9859 13.06667
128.4680 11.46906
128.9501 11.45002
129.4323 10.97009
129.9144 9.922436
130.3965 8.408141
130.8786 6.265682
131.3607 3.284832
131.8428 0.6417490
132.3250 0.3670060
132.8071 0.4102180
133.2892 0.2997090
133.7713 0.2375370
134.2534 0.3418920
134.7355 0.1912270
135.2177 2.0400999E-02
135.6998 0.4045840
136.1819 0.3827480
136.6640 6.4696997E-02
137.1461 0.1804050
137.6282 2.8953999E-02
138.1104 0.4974850
138.5925 1.4890000E-02
139.0746 0.5514670
139.5567 0.2481300
140.0388 0.4299830
140.5209 0.3549240
141.0031 0.5285120
141.4852 0.5248180
141.9673 0.1488580
142.4494 0.6443990
142.9315 0.1659780
143.4136 0.4416070
143.8958 0.2471900
144.3779 0.5278220
144.8600 0.6737360
145.3421 0.3755040
145.8242 6.6004999E-02
146.3063 0.6687810
146.7885 0.6318870
147.2706 0.6086730
147.7527 0.3221330
148.2348 2.1823000E-02
148.7169 0.3550720
149.1990 0.4172210
149.6812 0.6980590
150.1633 0.2337040
150.6454 0.1877110
151.1275 1.314007
151.6096 2.374150
152.0917 2.297538
152.5739 2.029012
153.0560 3.061478
153.5381 5.739779
154.0202 8.589101
154.5023 10.32291
154.9844 10.87964
155.4665 11.48128
155.9487 13.11813
156.4308 14.66650
156.9129 14.96311
157.3950 13.54718
157.8771 11.67230
158.3592 11.33294
158.8414 13.21460
159.3235 14.94027
159.8056 15.99804
160.2877 16.63125
160.7698 16.91627
161.2519 16.84476
161.7341 16.67456
162.2162 17.18258
162.6983 19.10530
163.1804 20.76734
163.6625 21.83272
164.1446 22.54774
164.6268 23.17286
165.1089 23.85933
165.5910 24.61193
166.0731 25.51972
166.5552 26.70571
167.0373 27.91487
167.5195 28.89209
168.0016 29.86027
168.4837 31.29527
168.9658 33.54380
169.4479 36.56964
169.9300 39.33314
170.4122 42.24429
170.8943 44.58097
171.3764 45.74393
171.8585 45.92099
172.3406 45.92822
172.8227 46.16819
173.3049 46.77314
173.7870 48.11403
174.2691 51.18288
174.7512 54.32032
175.2333 55.95172
175.7154 55.98941
176.1976 55.89625
176.6797 56.62379
177.1618 58.05767
177.6439 59.89419
178.1260 62.42929
178.6081 65.20575
179.0903 67.62790
179.5724 69.66820
180.0545 71.38129
180.5366 72.88468
181.0187 74.10751
181.5008 74.78690
181.9830 74.40072
182.4651 73.41837
182.9472 73.39471
183.4293 74.83996
183.9114 76.53915
184.3935 77.97205
184.8757 79.21562
185.3578 80.52551
185.8399 82.31590
186.3220 84.45329
186.8041 85.09870
187.2862 83.07746
187.7684 80.61912
188.2505 77.82656
188.7326 75.06474
189.2147 73.01352
189.6968 72.47138
190.1789 73.57178
190.6611 72.87150
191.1432 68.54150
191.6253 64.12659
192.1074 60.81809
192.5895 58.44435
193.0716 56.13735
193.5538 53.12908
194.0359 49.35379
194.5180 45.53849
195.0001 41.37438
195.4822 37.41873
195.9643 34.31624
196.4465 31.83394
196.9286 28.77353
197.4107 23.85291
197.8928 16.66300
198.3749 11.59024
198.8570 10.19968
199.3392 9.465198
199.8213 7.225011
200.3034 3.383175
200.7855 0.4770240
201.2676 0.6987750
201.7497 0.4839810
202.2319 0.3322300
202.7140 0.6691100
203.1961 0.6651550
203.6782 0.9399580
204.1603 1.031863
204.6424 2.658841
205.1246 3.216664
205.6067 1.389246
206.0888 0.3458120
206.5709 0.9204640
207.0530 2.593120
207.5351 4.821459
208.0173 7.788040
208.4994 10.94567
208.9815 13.67624
209.4636 16.14355
209.9457 18.73209
210.4278 21.70885
210.9100 25.00148
211.3921 28.48850
211.8742 32.18765
212.3563 36.16252
212.8384 40.74121
213.3205 45.59005
213.8027 50.21125
214.2848 54.46159
214.7669 58.29219
215.2490 61.22473
215.7311 62.29049
216.2132 63.82147
216.6954 66.82719
217.1775 70.89503
217.6596 75.33777
218.1417 79.75614
218.6238 84.19640
219.1059 88.91919
219.5881 94.78801
220.0702 99.59447
220.5523 102.2263
221.0344 103.5315
221.5165 104.5484
221.9986 106.2690
222.4808 108.6028
222.9629 110.4550
223.4450 111.1969
223.9271 112.0646
224.4092 113.2136
224.8913 114.6858
225.3735 116.6127
225.8556 119.2035
226.3377 122.2957
226.8198 124.2739
227.3019 123.7840
227.7840 123.5334
228.2662 123.9749
228.7483 125.0613
229.2304 126.7026
229.7125 128.9224
230.1946 131.6148
230.6767 133.5222
231.1589 134.1405
231.6410 134.5965
232.1231 134.9210
232.6052 135.2934
233.0873 136.1268
233.5694 137.7683
234.0516 139.9968
234.5337 141.1260
235.0158 140.7113
235.4979 139.9655
235.9800 138.9562
236.4621 137.8771
236.9443 137.1873
237.4264 137.2393
237.9085 137.7725
238.3906 137.5655
238.8727 136.4969
239.3548 135.0165
239.8370 132.9731
240.3191 130.6035
240.8012 128.6318
241.2833 127.6429
241.7654 127.0038
242.2475 124.7765
242.7297 119.8666
243.2118 115.4060
243.6939 113.2383
244.1760 112.6802
244.6581 111.7524
245.1402 109.7496
245.6224 106.7441
246.1045 102.8874
246.5866 97.91171
247.0687 92.95462
247.5508 88.55542
248.0329 84.64168
248.5151 80.98111
248.9972 77.69607
249.4793 74.35683
249.9614 70.24248
250.4435 65.19375
250.9256 60.38338
251.4078 56.84224
251.8899 54.20561
252.3720 50.67749
252.8541 45.29411
253.3362 39.51486
253.8183 34.93996
254.3005 31.54602
254.7826 28.47848
255.2647 25.21804
255.7468 21.84155
256.2289 18.74442
256.7110 16.04420
257.1931 13.60698
257.6753 11.45779
258.1574 9.525975
258.6395 7.296180
259.1216 4.126108
259.6037 0.3026900
260.0858 0.6059490
260.5680 6.1770000E-02
261.0501 1.950620
261.5322 0.7065360
262.0143 2.2771999E-02
262.4964 1.096163
262.9785 1.663841
263.4607 0.5455890
263.9428 0.3701900
264.4249 0.3139000
264.9070 0.1917170
265.3891 0.9764980
265.8712 2.176822
266.3534 2.287741
266.8355 1.813929
267.3176 0.2014740
267.7997 0.5408090
268.2818 0.8701460
268.7639 0.5186530
269.2461 0.8478300
269.7282 0.1564160
270.2103 0.6122380
270.6924 0.2065980
271.1745 0.5860290
271.6566 0.7384620
272.1388 1.111572
272.6209 2.480986
273.1030 0.9426520
273.5851 0.4727620
274.0672 0.8705120
274.5493 0.6919950
275.0315 0.3168540
275.5136 0.6819100
275.9957 2.017895
276.4778 3.032832
276.9599 1.200976
277.4420 0.9145260
277.9242 0.3107710
278.4063 3.470292
278.8884 0.4847460
279.3705 1.995864
279.8526 3.513073
280.3347 4.772396
280.8169 5.396807
281.2990 6.125813
281.7811 7.640877
282.2632 10.05386
282.7453 12.77866
283.2274 14.90495
283.7096 16.05800
284.1917 17.55197
284.6738 19.77790
285.1559 22.03043
285.6380 23.75214
286.1201 24.95839
286.6023 26.19287
287.0844 28.06766
287.5665 30.61461
288.0486 33.64272
288.5307 37.44620
289.0128 41.39589
289.4950 45.53335
289.9771 49.63696
290.4592 53.09324
290.9413 55.13938
291.4234 55.55091
291.9055 57.45894
292.3877 62.57370
292.8698 67.46409
293.3519 70.69440
293.8340 72.81815
294.3161 75.18649
294.7982 78.76501
295.2804 83.47906
295.7625 88.12189
296.2446 92.61388
296.7267 97.13956
297.2088 101.8445
297.6909 106.5772
298.1731 111.0928
298.6552 115.2418
299.1373 119.0494
299.6194 122.5677
300.1015 125.1388
300.5836 128.2048
301.0658 131.7928
301.5479 135.9281
302.0300 140.9107
302.5121 146.8062
302.9942 152.9627
303.4763 158.1006
303.9585 161.5101
304.4406 164.7945
304.9227 167.2442
305.4048 170.0177
305.8869 174.4805
306.3690 180.7489
306.8512 187.3929
307.3333 192.3672
307.8154 194.8354
308.2975 197.7567
308.7796 201.4315
309.2617 205.2592
309.7439 209.0644
310.2260 212.7220
310.7081 215.9787
311.1902 218.5439
311.6723 220.3773
312.1544 221.9149
312.6366 221.9398
313.1187 222.8932
313.6008 226.6038
314.0829 232.1255
314.5650 237.0314
315.0471 239.4308
315.5293 239.5872
316.0114 241.0253
316.4935 245.7390
316.9756 249.5209
317.4577 251.2569
317.9398 251.3612
318.4220 250.6554
318.9041 249.5038
319.3862 248.2666
319.8683 247.5821
320.3504 249.0382
320.8326 248.9176
321.3147 245.8988
321.7968 241.9430
322.2789 238.9879
322.7610 237.6823
323.2431 237.1694
323.7253 236.0909
324.2074 234.4555
324.6895 232.2729
325.1716 229.3617
325.6537 226.1214
326.1358 223.0849
326.6180 220.2413
327.1001 216.8582
327.5822 212.0372
328.0643 205.1440
328.5464 199.9704
329.0285 198.0134
329.5107 196.0517
329.9928 192.7813
330.4749 188.3195
330.9570 183.4722
331.4391 178.7392
331.9212 174.0890
332.4034 169.2341
332.8855 164.0252
333.3676 158.7178
333.8497 153.2316
334.3318 147.7417
334.8139 142.5407
335.2961 137.7007
335.7782 133.1747
336.2603 128.8249
336.7424 125.3686
337.2245 121.2845
337.7066 115.6330
338.1888 109.7881
338.6709 105.2155
339.1530 102.1979
339.6351 99.65246
340.1172 95.85962
340.5993 90.14319
341.0815 84.91343
341.5636 80.13058
342.0457 75.81696
342.5278 72.40568
343.0099 69.61713
343.4920 66.45081
343.9742 61.73443
344.4563 55.30645
344.9384 50.33036
345.4205 48.17548
345.9026 46.23829
346.3847 43.89068
346.8669 41.27493
347.3490 38.79639
347.8311 36.76322
348.3132 34.96218
348.7953 32.49693
349.2774 28.30424
349.7596 25.10513
350.2417 24.04615
350.7238 23.77185
351.2059 22.99459
351.6880 21.26503
352.1701 18.97837
352.6523 16.76682
353.1344 14.66267
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354.0986 9.887335
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355.5450 6.138524
356.0271 6.123316
356.5092 5.451588
356.9913 4.090535
357.4734 2.933598
357.9555 1.869102
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359.8840 2.543549
360.3661 1.676317
360.8482 0.3341920
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362.2946 5.258458
362.7767 6.217781
363.2588 6.785674
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364.2231 9.366304
364.7052 10.82393
365.1873 10.72010
365.6694 8.731116
366.1515 8.770856
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367.1158 19.57974
367.5979 21.96024
368.0800 21.06665
368.5621 19.34392
369.0442 18.28925
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370.9727 18.77558
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372.4190 22.85024
372.9012 23.41188
373.3833 23.77701
373.8654 24.84624
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376.2760 24.93846
376.7581 25.63489
377.2402 26.64744
377.7223 27.14794
378.2044 27.27419
378.6866 27.67460
379.1687 28.85630
379.6508 29.65047
380.1329 27.85933
380.6150 23.52003
381.0971 20.64718
381.5793 21.68456
382.0614 24.45942
382.5435 26.03584
383.0256 26.07483
383.5077 25.25331
383.9898 23.57520
384.4720 21.35851
384.9541 20.40686
385.4362 22.10910
385.9183 23.91076
386.4004 24.06234
386.8825 22.96444
387.3647 21.99607
387.8468 21.86677
388.3289 22.20450
388.8110 22.17898
389.2931 21.56411
389.7752 21.22181
390.2574 21.86464
390.7395 22.66366
391.2216 22.51574
391.7037 21.18070
392.1858 19.34523
392.6679 17.69118
393.1501 16.16998
393.6322 15.20723
394.1143 15.00391
394.5964 15.06727
395.0785 15.09093
395.5606 15.14349
396.0428 15.69777
396.5249 17.25773
397.0070 19.42138
397.4891 19.82373
397.9712 16.29166
398.4533 13.40804
398.9355 12.15379
399.4176 11.77932
399.8997 11.52965
400.3818 11.14627
400.8639 10.75661
401.3460 10.61063
401.8282 11.03343
402.3103 10.97950
402.7924 9.950697
403.2745 8.916058
403.7566 8.446770
404.2387 8.386115
404.7209 8.251311
405.2030 7.711723
405.6851 6.861672
406.1672 6.345593
406.6493 6.476705
407.1314 6.302369
407.6136 5.585506
408.0957 4.568689
408.5778 3.369939
409.0599 2.028565
409.5420 0.9019540
410.0241 0.6681120
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1140.913 2.406209
1141.395 1.697549
1141.877 0.1491590
1142.359 4.5141999E-02
1142.841 0.4535200
1143.323 0.2878260
1143.806 0.0000000E+00
